USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -5.95 K(o=-5.9,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0258) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0779) USER MOD Single : A 23 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-2.5) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0378) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.654 K(o=-0.65,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -0.119 (180deg=-0.971) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc=-0.00244 (180deg=-0.138) USER MOD Single : A 50 ASN :FLIP amide:sc= 0.0311 F(o=-0.49,f=0.031) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -110:sc= -0.404 USER MOD Single : A 54 ASN : amide:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 58 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-1.7) USER MOD Single : A 60 GLN : amide:sc= 0.412 X(o=0.41,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -130:sc= -0.214 (180deg=-1.03) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 69 SER OG : rot 180:sc=0.000626 USER MOD Single : A 72 SER OG : rot -1:sc= 1.09 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0251 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.614 -21.592 33.511 1.00 0.00 N ATOM 2 CA GLY A 1 22.806 -20.678 32.400 1.00 0.00 C ATOM 3 C GLY A 1 21.742 -20.833 31.332 1.00 0.00 C ATOM 4 O GLY A 1 21.472 -21.943 30.871 1.00 0.00 O ATOM 0 H1 GLY A 1 23.367 -21.447 34.214 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.689 -21.413 33.952 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.649 -22.572 33.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.798 -19.653 32.771 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.788 -20.849 31.958 1.00 0.00 H new ATOM 8 N SER A 2 21.133 -19.719 30.939 1.00 0.00 N ATOM 9 CA SER A 2 20.088 -19.737 29.922 1.00 0.00 C ATOM 10 C SER A 2 20.160 -18.489 29.047 1.00 0.00 C ATOM 11 O SER A 2 20.552 -17.417 29.507 1.00 0.00 O ATOM 12 CB SER A 2 18.710 -19.834 30.579 1.00 0.00 C ATOM 13 OG SER A 2 18.643 -20.941 31.461 1.00 0.00 O ATOM 0 H SER A 2 21.345 -18.793 31.309 1.00 0.00 H new ATOM 0 HA SER A 2 20.244 -20.612 29.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.499 -18.915 31.127 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.943 -19.930 29.810 1.00 0.00 H new ATOM 0 HG SER A 2 17.753 -20.980 31.869 1.00 0.00 H new ATOM 19 N SER A 3 19.777 -18.637 27.783 1.00 0.00 N ATOM 20 CA SER A 3 19.801 -17.523 26.842 1.00 0.00 C ATOM 21 C SER A 3 18.781 -17.733 25.727 1.00 0.00 C ATOM 22 O SER A 3 18.353 -18.856 25.464 1.00 0.00 O ATOM 23 CB SER A 3 21.200 -17.363 26.245 1.00 0.00 C ATOM 24 OG SER A 3 21.454 -16.013 25.896 1.00 0.00 O ATOM 0 H SER A 3 19.446 -19.517 27.387 1.00 0.00 H new ATOM 0 HA SER A 3 19.539 -16.615 27.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.946 -17.703 26.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.296 -17.995 25.362 1.00 0.00 H new ATOM 0 HG SER A 3 22.355 -15.937 25.518 1.00 0.00 H new ATOM 30 N GLY A 4 18.395 -16.641 25.073 1.00 0.00 N ATOM 31 CA GLY A 4 17.428 -16.725 23.994 1.00 0.00 C ATOM 32 C GLY A 4 17.753 -15.784 22.851 1.00 0.00 C ATOM 33 O GLY A 4 18.500 -14.821 23.023 1.00 0.00 O ATOM 0 H GLY A 4 18.735 -15.700 25.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.393 -17.748 23.620 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.436 -16.493 24.381 1.00 0.00 H new ATOM 37 N SER A 5 17.191 -16.063 21.679 1.00 0.00 N ATOM 38 CA SER A 5 17.429 -15.238 20.501 1.00 0.00 C ATOM 39 C SER A 5 16.324 -15.435 19.467 1.00 0.00 C ATOM 40 O SER A 5 15.892 -16.558 19.211 1.00 0.00 O ATOM 41 CB SER A 5 18.787 -15.574 19.882 1.00 0.00 C ATOM 42 OG SER A 5 18.978 -14.878 18.662 1.00 0.00 O ATOM 0 H SER A 5 16.567 -16.854 21.520 1.00 0.00 H new ATOM 0 HA SER A 5 17.429 -14.194 20.814 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.583 -15.315 20.581 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.854 -16.648 19.706 1.00 0.00 H new ATOM 0 HG SER A 5 19.854 -15.109 18.287 1.00 0.00 H new ATOM 48 N SER A 6 15.871 -14.333 18.877 1.00 0.00 N ATOM 49 CA SER A 6 14.813 -14.383 17.874 1.00 0.00 C ATOM 50 C SER A 6 14.772 -13.091 17.064 1.00 0.00 C ATOM 51 O SER A 6 14.972 -12.001 17.600 1.00 0.00 O ATOM 52 CB SER A 6 13.458 -14.622 18.543 1.00 0.00 C ATOM 53 OG SER A 6 13.006 -13.457 19.210 1.00 0.00 O ATOM 0 H SER A 6 16.220 -13.395 19.076 1.00 0.00 H new ATOM 0 HA SER A 6 15.027 -15.210 17.197 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.726 -14.922 17.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.540 -15.443 19.255 1.00 0.00 H new ATOM 0 HG SER A 6 12.138 -13.635 19.628 1.00 0.00 H new ATOM 59 N GLY A 7 14.512 -13.221 15.767 1.00 0.00 N ATOM 60 CA GLY A 7 14.449 -12.057 14.902 1.00 0.00 C ATOM 61 C GLY A 7 13.025 -11.640 14.594 1.00 0.00 C ATOM 62 O GLY A 7 12.297 -12.355 13.907 1.00 0.00 O ATOM 0 H GLY A 7 14.344 -14.112 15.299 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.973 -11.227 15.376 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.971 -12.272 13.970 1.00 0.00 H new ATOM 66 N GLU A 8 12.626 -10.479 15.105 1.00 0.00 N ATOM 67 CA GLU A 8 11.278 -9.970 14.882 1.00 0.00 C ATOM 68 C GLU A 8 11.195 -9.211 13.560 1.00 0.00 C ATOM 69 O GLU A 8 12.033 -8.366 13.247 1.00 0.00 O ATOM 70 CB GLU A 8 10.857 -9.056 16.034 1.00 0.00 C ATOM 71 CG GLU A 8 10.357 -9.808 17.256 1.00 0.00 C ATOM 72 CD GLU A 8 10.573 -9.037 18.544 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.640 -8.405 18.686 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.673 -9.068 19.410 1.00 0.00 O ATOM 0 H GLU A 8 13.217 -9.874 15.676 1.00 0.00 H new ATOM 0 HA GLU A 8 10.599 -10.821 14.836 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.705 -8.435 16.322 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.073 -8.384 15.685 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.294 -10.020 17.138 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.869 -10.768 17.322 1.00 0.00 H new ATOM 81 N PRO A 9 10.160 -9.521 12.765 1.00 0.00 N ATOM 82 CA PRO A 9 9.942 -8.880 11.465 1.00 0.00 C ATOM 83 C PRO A 9 9.528 -7.419 11.600 1.00 0.00 C ATOM 84 O PRO A 9 8.856 -7.025 12.554 1.00 0.00 O ATOM 85 CB PRO A 9 8.806 -9.703 10.850 1.00 0.00 C ATOM 86 CG PRO A 9 8.081 -10.278 12.018 1.00 0.00 C ATOM 87 CD PRO A 9 9.123 -10.519 13.075 1.00 0.00 C ATOM 0 HA PRO A 9 10.850 -8.863 10.862 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.149 -9.080 10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.192 -10.487 10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.313 -9.593 12.376 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.578 -11.206 11.747 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.718 -10.380 14.077 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.516 -11.535 13.028 1.00 0.00 H new ATOM 95 N PRO A 10 9.936 -6.594 10.624 1.00 0.00 N ATOM 96 CA PRO A 10 9.618 -5.164 10.612 1.00 0.00 C ATOM 97 C PRO A 10 8.139 -4.901 10.349 1.00 0.00 C ATOM 98 O PRO A 10 7.537 -5.510 9.464 1.00 0.00 O ATOM 99 CB PRO A 10 10.470 -4.620 9.462 1.00 0.00 C ATOM 100 CG PRO A 10 10.681 -5.789 8.562 1.00 0.00 C ATOM 101 CD PRO A 10 10.740 -6.996 9.457 1.00 0.00 C ATOM 0 HA PRO A 10 9.824 -4.693 11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.962 -3.807 8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.418 -4.223 9.825 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.869 -5.878 7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.604 -5.681 7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.327 -7.879 8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.765 -7.238 9.739 1.00 0.00 H new ATOM 109 N LYS A 11 7.558 -3.990 11.122 1.00 0.00 N ATOM 110 CA LYS A 11 6.149 -3.644 10.973 1.00 0.00 C ATOM 111 C LYS A 11 5.962 -2.580 9.896 1.00 0.00 C ATOM 112 O LYS A 11 6.079 -1.383 10.165 1.00 0.00 O ATOM 113 CB LYS A 11 5.581 -3.145 12.303 1.00 0.00 C ATOM 114 CG LYS A 11 5.607 -4.190 13.405 1.00 0.00 C ATOM 115 CD LYS A 11 4.749 -3.773 14.588 1.00 0.00 C ATOM 116 CE LYS A 11 5.408 -2.663 15.392 1.00 0.00 C ATOM 117 NZ LYS A 11 4.927 -2.638 16.801 1.00 0.00 N ATOM 0 H LYS A 11 8.042 -3.477 11.859 1.00 0.00 H new ATOM 0 HA LYS A 11 5.610 -4.542 10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.149 -2.273 12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.553 -2.817 12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.250 -5.142 13.013 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.634 -4.346 13.736 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.775 -3.437 14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.572 -4.634 15.232 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.489 -2.799 15.380 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.202 -1.702 14.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.400 -1.868 17.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.899 -2.483 16.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.146 -3.546 17.259 1.00 0.00 H new ATOM 131 N LEU A 12 5.669 -3.022 8.678 1.00 0.00 N ATOM 132 CA LEU A 12 5.464 -2.107 7.561 1.00 0.00 C ATOM 133 C LEU A 12 3.983 -2.003 7.207 1.00 0.00 C ATOM 134 O LEU A 12 3.471 -2.780 6.401 1.00 0.00 O ATOM 135 CB LEU A 12 6.260 -2.573 6.341 1.00 0.00 C ATOM 136 CG LEU A 12 7.770 -2.714 6.539 1.00 0.00 C ATOM 137 CD1 LEU A 12 8.365 -3.623 5.475 1.00 0.00 C ATOM 138 CD2 LEU A 12 8.441 -1.349 6.514 1.00 0.00 C ATOM 0 H LEU A 12 5.568 -4.008 8.439 1.00 0.00 H new ATOM 0 HA LEU A 12 5.817 -1.121 7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.864 -3.537 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.085 -1.869 5.527 1.00 0.00 H new ATOM 0 HG LEU A 12 7.949 -3.166 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.440 -3.712 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.906 -4.610 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.176 -3.200 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.515 -1.469 6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.254 -0.869 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.036 -0.730 7.314 1.00 0.00 H new ATOM 150 N VAL A 13 3.301 -1.037 7.814 1.00 0.00 N ATOM 151 CA VAL A 13 1.880 -0.830 7.561 1.00 0.00 C ATOM 152 C VAL A 13 1.615 0.579 7.042 1.00 0.00 C ATOM 153 O VAL A 13 2.290 1.531 7.429 1.00 0.00 O ATOM 154 CB VAL A 13 1.044 -1.063 8.833 1.00 0.00 C ATOM 155 CG1 VAL A 13 1.496 -0.133 9.948 1.00 0.00 C ATOM 156 CG2 VAL A 13 -0.437 -0.875 8.538 1.00 0.00 C ATOM 0 H VAL A 13 3.709 -0.386 8.484 1.00 0.00 H new ATOM 0 HA VAL A 13 1.584 -1.555 6.803 1.00 0.00 H new ATOM 0 HB VAL A 13 1.198 -2.090 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.893 -0.313 10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.545 -0.321 10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.374 0.902 9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.013 -1.043 9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.611 0.140 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.749 -1.587 7.774 1.00 0.00 H new ATOM 166 N ASN A 14 0.625 0.704 6.164 1.00 0.00 N ATOM 167 CA ASN A 14 0.270 1.997 5.591 1.00 0.00 C ATOM 168 C ASN A 14 -0.261 2.940 6.666 1.00 0.00 C ATOM 169 O ASN A 14 -0.277 2.602 7.850 1.00 0.00 O ATOM 170 CB ASN A 14 -0.778 1.820 4.490 1.00 0.00 C ATOM 171 CG ASN A 14 -1.888 0.870 4.896 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.966 0.445 6.048 1.00 0.00 O ATOM 173 ND2 ASN A 14 -2.754 0.532 3.947 1.00 0.00 N ATOM 0 H ASN A 14 0.054 -0.074 5.834 1.00 0.00 H new ATOM 0 HA ASN A 14 1.170 2.435 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.207 2.791 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.294 1.445 3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.522 -0.104 4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.651 0.909 3.005 1.00 0.00 H new ATOM 180 N ASP A 15 -0.694 4.123 6.246 1.00 0.00 N ATOM 181 CA ASP A 15 -1.227 5.116 7.172 1.00 0.00 C ATOM 182 C ASP A 15 -2.685 4.817 7.509 1.00 0.00 C ATOM 183 O ASP A 15 -3.030 4.584 8.668 1.00 0.00 O ATOM 184 CB ASP A 15 -1.107 6.519 6.575 1.00 0.00 C ATOM 185 CG ASP A 15 -1.546 6.571 5.125 1.00 0.00 C ATOM 186 OD1 ASP A 15 -0.692 6.366 4.238 1.00 0.00 O ATOM 187 OD2 ASP A 15 -2.746 6.815 4.878 1.00 0.00 O ATOM 0 H ASP A 15 -0.687 4.418 5.270 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.643 5.070 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.712 7.212 7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.073 6.856 6.651 1.00 0.00 H new ATOM 192 N LYS A 16 -3.537 4.826 6.489 1.00 0.00 N ATOM 193 CA LYS A 16 -4.957 4.556 6.676 1.00 0.00 C ATOM 194 C LYS A 16 -5.334 3.198 6.092 1.00 0.00 C ATOM 195 O LYS A 16 -5.861 3.096 4.984 1.00 0.00 O ATOM 196 CB LYS A 16 -5.797 5.655 6.021 1.00 0.00 C ATOM 197 CG LYS A 16 -6.118 6.811 6.952 1.00 0.00 C ATOM 198 CD LYS A 16 -7.071 6.389 8.057 1.00 0.00 C ATOM 199 CE LYS A 16 -6.864 7.214 9.318 1.00 0.00 C ATOM 200 NZ LYS A 16 -7.348 8.612 9.152 1.00 0.00 N ATOM 0 H LYS A 16 -3.268 5.018 5.524 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.160 4.541 7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.264 6.038 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.729 5.221 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.196 7.192 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.560 7.627 6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.100 6.500 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.922 5.333 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.389 6.744 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.805 7.225 9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.189 9.141 10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.829 9.069 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.364 8.604 8.932 1.00 0.00 H new ATOM 214 N PRO A 17 -5.059 2.128 6.854 1.00 0.00 N ATOM 215 CA PRO A 17 -5.364 0.757 6.433 1.00 0.00 C ATOM 216 C PRO A 17 -6.862 0.478 6.408 1.00 0.00 C ATOM 217 O PRO A 17 -7.568 0.734 7.384 1.00 0.00 O ATOM 218 CB PRO A 17 -4.677 -0.101 7.498 1.00 0.00 C ATOM 219 CG PRO A 17 -4.605 0.774 8.702 1.00 0.00 C ATOM 220 CD PRO A 17 -4.432 2.175 8.185 1.00 0.00 C ATOM 0 HA PRO A 17 -5.022 0.556 5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.245 -1.009 7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.684 -0.412 7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.511 0.688 9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.771 0.489 9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.918 2.905 8.832 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.380 2.454 8.124 1.00 0.00 H new ATOM 228 N HIS A 18 -7.342 -0.050 5.287 1.00 0.00 N ATOM 229 CA HIS A 18 -8.758 -0.366 5.136 1.00 0.00 C ATOM 230 C HIS A 18 -9.209 -1.365 6.198 1.00 0.00 C ATOM 231 O HIS A 18 -8.415 -2.170 6.684 1.00 0.00 O ATOM 232 CB HIS A 18 -9.031 -0.931 3.741 1.00 0.00 C ATOM 233 CG HIS A 18 -8.935 0.093 2.652 1.00 0.00 C ATOM 234 ND1 HIS A 18 -9.936 1.002 2.383 1.00 0.00 N ATOM 235 CD2 HIS A 18 -7.948 0.349 1.762 1.00 0.00 C ATOM 236 CE1 HIS A 18 -9.570 1.772 1.374 1.00 0.00 C ATOM 237 NE2 HIS A 18 -8.366 1.396 0.979 1.00 0.00 N ATOM 0 H HIS A 18 -6.772 -0.268 4.470 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.325 0.556 5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.322 -1.734 3.538 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.027 -1.374 3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.006 -0.174 1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.155 2.572 0.945 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.834 1.816 0.216 1.00 0.00 H new ATOM 245 N LYS A 19 -10.487 -1.305 6.555 1.00 0.00 N ATOM 246 CA LYS A 19 -11.045 -2.203 7.559 1.00 0.00 C ATOM 247 C LYS A 19 -12.382 -2.773 7.097 1.00 0.00 C ATOM 248 O LYS A 19 -13.419 -2.119 7.210 1.00 0.00 O ATOM 249 CB LYS A 19 -11.224 -1.467 8.888 1.00 0.00 C ATOM 250 CG LYS A 19 -9.922 -0.961 9.484 1.00 0.00 C ATOM 251 CD LYS A 19 -9.081 -2.100 10.036 1.00 0.00 C ATOM 252 CE LYS A 19 -8.155 -1.623 11.144 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.887 -1.404 12.423 1.00 0.00 N ATOM 0 H LYS A 19 -11.157 -0.643 6.163 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.347 -3.029 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.897 -0.623 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.705 -2.136 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.356 -0.426 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.138 -0.248 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.735 -2.884 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.491 -2.541 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.365 -2.358 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.671 -0.695 10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.205 -1.212 13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.530 -0.593 12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.438 -2.254 12.658 1.00 0.00 H new ATOM 267 N PHE A 20 -12.351 -3.996 6.578 1.00 0.00 N ATOM 268 CA PHE A 20 -13.561 -4.654 6.099 1.00 0.00 C ATOM 269 C PHE A 20 -14.031 -5.715 7.090 1.00 0.00 C ATOM 270 O PHE A 20 -13.331 -6.040 8.049 1.00 0.00 O ATOM 271 CB PHE A 20 -13.313 -5.292 4.731 1.00 0.00 C ATOM 272 CG PHE A 20 -12.357 -4.516 3.872 1.00 0.00 C ATOM 273 CD1 PHE A 20 -10.993 -4.744 3.950 1.00 0.00 C ATOM 274 CD2 PHE A 20 -12.823 -3.557 2.986 1.00 0.00 C ATOM 275 CE1 PHE A 20 -10.111 -4.030 3.161 1.00 0.00 C ATOM 276 CE2 PHE A 20 -11.946 -2.840 2.194 1.00 0.00 C ATOM 277 CZ PHE A 20 -10.588 -3.078 2.281 1.00 0.00 C ATOM 0 H PHE A 20 -11.501 -4.551 6.478 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.342 -3.899 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -12.924 -6.300 4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.264 -5.389 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.614 -5.488 4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -13.884 -3.368 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.050 -4.216 3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.322 -2.095 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.900 -2.521 1.662 1.00 0.00 H new ATOM 287 N LYS A 21 -15.223 -6.252 6.852 1.00 0.00 N ATOM 288 CA LYS A 21 -15.789 -7.277 7.721 1.00 0.00 C ATOM 289 C LYS A 21 -16.680 -8.230 6.930 1.00 0.00 C ATOM 290 O LYS A 21 -17.426 -7.807 6.046 1.00 0.00 O ATOM 291 CB LYS A 21 -16.593 -6.629 8.851 1.00 0.00 C ATOM 292 CG LYS A 21 -16.811 -7.544 10.044 1.00 0.00 C ATOM 293 CD LYS A 21 -15.559 -7.658 10.896 1.00 0.00 C ATOM 294 CE LYS A 21 -15.797 -8.522 12.125 1.00 0.00 C ATOM 295 NZ LYS A 21 -16.701 -7.857 13.104 1.00 0.00 N ATOM 0 H LYS A 21 -15.816 -5.994 6.063 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.967 -7.849 8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.076 -5.729 9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.562 -6.315 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.632 -7.162 10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.106 -8.534 9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.751 -8.084 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.237 -6.664 11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.230 -9.475 11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.843 -8.743 12.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.718 -8.404 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.355 -6.896 13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.662 -7.806 12.710 1.00 0.00 H new ATOM 309 N ASP A 22 -16.599 -9.515 7.255 1.00 0.00 N ATOM 310 CA ASP A 22 -17.400 -10.527 6.577 1.00 0.00 C ATOM 311 C ASP A 22 -18.881 -10.166 6.619 1.00 0.00 C ATOM 312 O ASP A 22 -19.540 -10.321 7.648 1.00 0.00 O ATOM 313 CB ASP A 22 -17.178 -11.898 7.218 1.00 0.00 C ATOM 314 CG ASP A 22 -15.801 -12.460 6.921 1.00 0.00 C ATOM 315 OD1 ASP A 22 -14.837 -11.669 6.869 1.00 0.00 O ATOM 316 OD2 ASP A 22 -15.689 -13.691 6.740 1.00 0.00 O ATOM 0 H ASP A 22 -15.987 -9.881 7.984 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.084 -10.567 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.309 -11.817 8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.936 -12.592 6.856 1.00 0.00 H new ATOM 321 N HIS A 23 -19.399 -9.683 5.494 1.00 0.00 N ATOM 322 CA HIS A 23 -20.803 -9.299 5.403 1.00 0.00 C ATOM 323 C HIS A 23 -21.386 -9.688 4.047 1.00 0.00 C ATOM 324 O HIS A 23 -20.728 -9.553 3.015 1.00 0.00 O ATOM 325 CB HIS A 23 -20.958 -7.793 5.624 1.00 0.00 C ATOM 326 CG HIS A 23 -22.356 -7.378 5.964 1.00 0.00 C ATOM 327 ND1 HIS A 23 -23.427 -7.577 5.118 1.00 0.00 N ATOM 328 CD2 HIS A 23 -22.856 -6.773 7.067 1.00 0.00 C ATOM 329 CE1 HIS A 23 -24.525 -7.111 5.685 1.00 0.00 C ATOM 330 NE2 HIS A 23 -24.206 -6.618 6.869 1.00 0.00 N ATOM 0 H HIS A 23 -18.868 -9.548 4.634 1.00 0.00 H new ATOM 0 HA HIS A 23 -21.350 -9.831 6.181 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -20.290 -7.481 6.427 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -20.641 -7.267 4.723 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.297 -6.469 7.940 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -25.515 -7.130 5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -24.857 -6.192 7.529 1.00 0.00 H new ATOM 338 N PHE A 24 -22.624 -10.172 4.058 1.00 0.00 N ATOM 339 CA PHE A 24 -23.294 -10.582 2.830 1.00 0.00 C ATOM 340 C PHE A 24 -24.084 -9.424 2.228 1.00 0.00 C ATOM 341 O PHE A 24 -25.096 -8.994 2.782 1.00 0.00 O ATOM 342 CB PHE A 24 -24.228 -11.763 3.104 1.00 0.00 C ATOM 343 CG PHE A 24 -23.523 -12.969 3.655 1.00 0.00 C ATOM 344 CD1 PHE A 24 -23.209 -13.049 5.002 1.00 0.00 C ATOM 345 CD2 PHE A 24 -23.173 -14.023 2.826 1.00 0.00 C ATOM 346 CE1 PHE A 24 -22.560 -14.158 5.512 1.00 0.00 C ATOM 347 CE2 PHE A 24 -22.525 -15.134 3.330 1.00 0.00 C ATOM 348 CZ PHE A 24 -22.217 -15.202 4.675 1.00 0.00 C ATOM 0 H PHE A 24 -23.183 -10.290 4.903 1.00 0.00 H new ATOM 0 HA PHE A 24 -22.531 -10.889 2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -25.000 -11.450 3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -24.733 -12.039 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -23.474 -12.236 5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -23.410 -13.975 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.321 -14.208 6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.259 -15.949 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 24 -21.709 -16.069 5.071 1.00 0.00 H new ATOM 358 N PHE A 25 -23.614 -8.923 1.090 1.00 0.00 N ATOM 359 CA PHE A 25 -24.275 -7.813 0.413 1.00 0.00 C ATOM 360 C PHE A 25 -25.596 -8.262 -0.206 1.00 0.00 C ATOM 361 O PHE A 25 -25.619 -9.091 -1.116 1.00 0.00 O ATOM 362 CB PHE A 25 -23.363 -7.233 -0.670 1.00 0.00 C ATOM 363 CG PHE A 25 -21.987 -6.890 -0.174 1.00 0.00 C ATOM 364 CD1 PHE A 25 -20.988 -7.850 -0.143 1.00 0.00 C ATOM 365 CD2 PHE A 25 -21.693 -5.608 0.260 1.00 0.00 C ATOM 366 CE1 PHE A 25 -19.721 -7.537 0.312 1.00 0.00 C ATOM 367 CE2 PHE A 25 -20.427 -5.290 0.716 1.00 0.00 C ATOM 368 CZ PHE A 25 -19.441 -6.256 0.743 1.00 0.00 C ATOM 0 H PHE A 25 -22.778 -9.268 0.618 1.00 0.00 H new ATOM 0 HA PHE A 25 -24.485 -7.041 1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -23.278 -7.951 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -23.826 -6.336 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -21.202 -8.854 -0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -22.461 -4.849 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -18.951 -8.294 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -20.210 -4.287 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 25 -18.452 -6.010 1.101 1.00 0.00 H new ATOM 378 N LYS A 26 -26.695 -7.710 0.296 1.00 0.00 N ATOM 379 CA LYS A 26 -28.021 -8.051 -0.206 1.00 0.00 C ATOM 380 C LYS A 26 -28.047 -8.033 -1.731 1.00 0.00 C ATOM 381 O LYS A 26 -28.691 -8.872 -2.361 1.00 0.00 O ATOM 382 CB LYS A 26 -29.063 -7.075 0.344 1.00 0.00 C ATOM 383 CG LYS A 26 -30.496 -7.489 0.056 1.00 0.00 C ATOM 384 CD LYS A 26 -31.000 -8.499 1.074 1.00 0.00 C ATOM 385 CE LYS A 26 -32.340 -9.086 0.659 1.00 0.00 C ATOM 386 NZ LYS A 26 -33.092 -9.630 1.824 1.00 0.00 N ATOM 0 H LYS A 26 -26.694 -7.024 1.051 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.262 -9.059 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -28.930 -6.984 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -28.886 -6.088 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.139 -6.609 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.558 -7.917 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.269 -9.300 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.098 -8.018 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.937 -8.317 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.179 -9.879 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.999 -10.021 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.534 -10.381 2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.269 -8.868 2.510 1.00 0.00 H new ATOM 400 N LYS A 27 -27.342 -7.072 -2.318 1.00 0.00 N ATOM 401 CA LYS A 27 -27.281 -6.946 -3.770 1.00 0.00 C ATOM 402 C LYS A 27 -25.856 -7.148 -4.274 1.00 0.00 C ATOM 403 O LYS A 27 -24.881 -6.972 -3.542 1.00 0.00 O ATOM 404 CB LYS A 27 -27.797 -5.572 -4.205 1.00 0.00 C ATOM 405 CG LYS A 27 -27.324 -4.435 -3.316 1.00 0.00 C ATOM 406 CD LYS A 27 -27.765 -3.085 -3.856 1.00 0.00 C ATOM 407 CE LYS A 27 -27.936 -2.067 -2.739 1.00 0.00 C ATOM 408 NZ LYS A 27 -26.666 -1.844 -1.993 1.00 0.00 N ATOM 0 H LYS A 27 -26.805 -6.369 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 27 -27.914 -7.720 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.475 -5.380 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -28.887 -5.588 -4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.718 -4.571 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.237 -4.460 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.029 -2.720 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -28.706 -3.197 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.282 -1.122 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -28.707 -2.411 -2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.797 -1.072 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.403 -2.714 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.911 -1.590 -2.661 1.00 0.00 H new ATOM 422 N PRO A 28 -25.728 -7.525 -5.555 1.00 0.00 N ATOM 423 CA PRO A 28 -24.426 -7.757 -6.186 1.00 0.00 C ATOM 424 C PRO A 28 -23.640 -6.465 -6.386 1.00 0.00 C ATOM 425 O PRO A 28 -24.022 -5.612 -7.188 1.00 0.00 O ATOM 426 CB PRO A 28 -24.792 -8.375 -7.538 1.00 0.00 C ATOM 427 CG PRO A 28 -26.167 -7.878 -7.822 1.00 0.00 C ATOM 428 CD PRO A 28 -26.846 -7.754 -6.486 1.00 0.00 C ATOM 0 HA PRO A 28 -23.783 -8.389 -5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -24.092 -8.069 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -24.766 -9.464 -7.496 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -26.136 -6.917 -8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -26.705 -8.569 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -27.557 -6.928 -6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -27.402 -8.657 -6.232 1.00 0.00 H new ATOM 436 N LYS A 29 -22.541 -6.327 -5.654 1.00 0.00 N ATOM 437 CA LYS A 29 -21.699 -5.140 -5.751 1.00 0.00 C ATOM 438 C LYS A 29 -20.437 -5.433 -6.556 1.00 0.00 C ATOM 439 O LYS A 29 -19.988 -6.577 -6.632 1.00 0.00 O ATOM 440 CB LYS A 29 -21.322 -4.641 -4.355 1.00 0.00 C ATOM 441 CG LYS A 29 -20.913 -3.179 -4.321 1.00 0.00 C ATOM 442 CD LYS A 29 -22.098 -2.275 -4.027 1.00 0.00 C ATOM 443 CE LYS A 29 -21.678 -0.816 -3.937 1.00 0.00 C ATOM 444 NZ LYS A 29 -22.824 0.071 -3.596 1.00 0.00 N ATOM 0 H LYS A 29 -22.211 -7.023 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 29 -22.266 -4.364 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -22.169 -4.788 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.502 -5.248 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -20.145 -3.033 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -20.471 -2.902 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -22.848 -2.391 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -22.565 -2.579 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -20.899 -0.708 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.247 -0.503 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.497 1.057 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.557 -0.012 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.220 -0.211 -2.677 1.00 0.00 H new ATOM 458 N PHE A 30 -19.868 -4.392 -7.155 1.00 0.00 N ATOM 459 CA PHE A 30 -18.657 -4.537 -7.954 1.00 0.00 C ATOM 460 C PHE A 30 -17.417 -4.222 -7.124 1.00 0.00 C ATOM 461 O PHE A 30 -17.389 -3.246 -6.374 1.00 0.00 O ATOM 462 CB PHE A 30 -18.714 -3.619 -9.177 1.00 0.00 C ATOM 463 CG PHE A 30 -19.444 -4.218 -10.344 1.00 0.00 C ATOM 464 CD1 PHE A 30 -20.812 -4.049 -10.483 1.00 0.00 C ATOM 465 CD2 PHE A 30 -18.762 -4.950 -11.303 1.00 0.00 C ATOM 466 CE1 PHE A 30 -21.487 -4.601 -11.556 1.00 0.00 C ATOM 467 CE2 PHE A 30 -19.431 -5.504 -12.378 1.00 0.00 C ATOM 468 CZ PHE A 30 -20.795 -5.328 -12.505 1.00 0.00 C ATOM 0 H PHE A 30 -20.226 -3.439 -7.102 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.594 -5.572 -8.289 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -19.199 -2.684 -8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -17.698 -3.372 -9.483 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.357 -3.480 -9.745 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -17.695 -5.089 -11.209 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -22.554 -4.464 -11.652 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -18.888 -6.074 -13.118 1.00 0.00 H new ATOM 0 HZ PHE A 30 -21.320 -5.758 -13.345 1.00 0.00 H new ATOM 478 N CYS A 31 -16.392 -5.056 -7.263 1.00 0.00 N ATOM 479 CA CYS A 31 -15.148 -4.869 -6.526 1.00 0.00 C ATOM 480 C CYS A 31 -14.453 -3.578 -6.951 1.00 0.00 C ATOM 481 O CYS A 31 -14.782 -2.995 -7.983 1.00 0.00 O ATOM 482 CB CYS A 31 -14.214 -6.061 -6.748 1.00 0.00 C ATOM 483 SG CYS A 31 -14.560 -7.487 -5.670 1.00 0.00 S ATOM 0 H CYS A 31 -16.398 -5.868 -7.880 1.00 0.00 H new ATOM 0 HA CYS A 31 -15.390 -4.799 -5.466 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.289 -6.379 -7.788 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.186 -5.738 -6.586 1.00 0.00 H new ATOM 488 N ASP A 32 -13.490 -3.140 -6.147 1.00 0.00 N ATOM 489 CA ASP A 32 -12.747 -1.919 -6.440 1.00 0.00 C ATOM 490 C ASP A 32 -11.331 -2.244 -6.906 1.00 0.00 C ATOM 491 O ASP A 32 -10.626 -1.382 -7.431 1.00 0.00 O ATOM 492 CB ASP A 32 -12.697 -1.019 -5.205 1.00 0.00 C ATOM 493 CG ASP A 32 -13.849 -0.034 -5.159 1.00 0.00 C ATOM 494 OD1 ASP A 32 -14.953 -0.391 -5.620 1.00 0.00 O ATOM 495 OD2 ASP A 32 -13.646 1.094 -4.663 1.00 0.00 O ATOM 0 H ASP A 32 -13.206 -3.611 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.263 -1.392 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.715 -1.637 -4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.754 -0.472 -5.196 1.00 0.00 H new ATOM 500 N VAL A 33 -10.920 -3.493 -6.710 1.00 0.00 N ATOM 501 CA VAL A 33 -9.589 -3.931 -7.110 1.00 0.00 C ATOM 502 C VAL A 33 -9.646 -4.776 -8.378 1.00 0.00 C ATOM 503 O VAL A 33 -9.004 -4.457 -9.379 1.00 0.00 O ATOM 504 CB VAL A 33 -8.907 -4.746 -5.994 1.00 0.00 C ATOM 505 CG1 VAL A 33 -7.480 -5.096 -6.384 1.00 0.00 C ATOM 506 CG2 VAL A 33 -8.937 -3.979 -4.681 1.00 0.00 C ATOM 0 H VAL A 33 -11.490 -4.219 -6.276 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.005 -3.031 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.459 -5.676 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.015 -5.671 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.488 -5.688 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.913 -4.180 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.451 -4.569 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.410 -3.032 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.971 -3.785 -4.396 1.00 0.00 H new ATOM 516 N CYS A 34 -10.420 -5.855 -8.329 1.00 0.00 N ATOM 517 CA CYS A 34 -10.563 -6.747 -9.473 1.00 0.00 C ATOM 518 C CYS A 34 -11.638 -6.238 -10.429 1.00 0.00 C ATOM 519 O CYS A 34 -11.593 -6.504 -11.629 1.00 0.00 O ATOM 520 CB CYS A 34 -10.910 -8.161 -9.004 1.00 0.00 C ATOM 521 SG CYS A 34 -12.651 -8.375 -8.514 1.00 0.00 S ATOM 0 H CYS A 34 -10.958 -6.133 -7.508 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.611 -6.771 -10.004 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.680 -8.864 -9.804 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.271 -8.419 -8.159 1.00 0.00 H new ATOM 526 N ALA A 35 -12.604 -5.503 -9.887 1.00 0.00 N ATOM 527 CA ALA A 35 -13.689 -4.955 -10.691 1.00 0.00 C ATOM 528 C ALA A 35 -14.542 -6.067 -11.293 1.00 0.00 C ATOM 529 O ALA A 35 -14.879 -6.031 -12.476 1.00 0.00 O ATOM 530 CB ALA A 35 -13.133 -4.060 -11.788 1.00 0.00 C ATOM 0 H ALA A 35 -12.657 -5.274 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 35 -14.326 -4.358 -10.039 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.955 -3.658 -12.381 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.573 -3.239 -11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.472 -4.641 -12.431 1.00 0.00 H new ATOM 536 N ARG A 36 -14.887 -7.053 -10.471 1.00 0.00 N ATOM 537 CA ARG A 36 -15.699 -8.176 -10.924 1.00 0.00 C ATOM 538 C ARG A 36 -16.939 -8.338 -10.050 1.00 0.00 C ATOM 539 O ARG A 36 -16.842 -8.403 -8.825 1.00 0.00 O ATOM 540 CB ARG A 36 -14.878 -9.466 -10.907 1.00 0.00 C ATOM 541 CG ARG A 36 -13.796 -9.515 -11.974 1.00 0.00 C ATOM 542 CD ARG A 36 -14.308 -10.150 -13.257 1.00 0.00 C ATOM 543 NE ARG A 36 -14.313 -11.609 -13.181 1.00 0.00 N ATOM 544 CZ ARG A 36 -13.260 -12.364 -13.473 1.00 0.00 C ATOM 545 NH1 ARG A 36 -12.123 -11.800 -13.857 1.00 0.00 N ATOM 546 NH2 ARG A 36 -13.342 -13.685 -13.379 1.00 0.00 N ATOM 0 H ARG A 36 -14.617 -7.097 -9.488 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.020 -7.971 -11.945 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.415 -9.579 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.548 -10.315 -11.042 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.443 -8.505 -12.182 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.942 -10.081 -11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.318 -9.794 -13.460 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.684 -9.833 -14.093 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.172 -12.073 -12.888 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.056 -10.785 -13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.315 -12.381 -14.081 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.215 -14.122 -13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.532 -14.263 -13.604 1.00 0.00 H new ATOM 560 N MET A 37 -18.103 -8.400 -10.689 1.00 0.00 N ATOM 561 CA MET A 37 -19.362 -8.555 -9.969 1.00 0.00 C ATOM 562 C MET A 37 -19.231 -9.598 -8.864 1.00 0.00 C ATOM 563 O MET A 37 -18.914 -10.758 -9.127 1.00 0.00 O ATOM 564 CB MET A 37 -20.480 -8.954 -10.934 1.00 0.00 C ATOM 565 CG MET A 37 -21.855 -8.992 -10.288 1.00 0.00 C ATOM 566 SD MET A 37 -23.055 -9.919 -11.263 1.00 0.00 S ATOM 567 CE MET A 37 -24.277 -8.651 -11.591 1.00 0.00 C ATOM 0 H MET A 37 -18.201 -8.345 -11.703 1.00 0.00 H new ATOM 0 HA MET A 37 -19.611 -7.597 -9.512 1.00 0.00 H new ATOM 0 HB2 MET A 37 -20.498 -8.251 -11.767 1.00 0.00 H new ATOM 0 HB3 MET A 37 -20.256 -9.936 -11.351 1.00 0.00 H new ATOM 0 HG2 MET A 37 -21.774 -9.439 -9.297 1.00 0.00 H new ATOM 0 HG3 MET A 37 -22.215 -7.973 -10.149 1.00 0.00 H new ATOM 0 HE1 MET A 37 -25.087 -9.072 -12.187 1.00 0.00 H new ATOM 0 HE2 MET A 37 -24.677 -8.278 -10.648 1.00 0.00 H new ATOM 0 HE3 MET A 37 -23.812 -7.830 -12.138 1.00 0.00 H new ATOM 577 N ILE A 38 -19.478 -9.178 -7.628 1.00 0.00 N ATOM 578 CA ILE A 38 -19.388 -10.076 -6.483 1.00 0.00 C ATOM 579 C ILE A 38 -20.717 -10.780 -6.232 1.00 0.00 C ATOM 580 O ILE A 38 -21.616 -10.225 -5.600 1.00 0.00 O ATOM 581 CB ILE A 38 -18.970 -9.323 -5.207 1.00 0.00 C ATOM 582 CG1 ILE A 38 -17.652 -8.581 -5.436 1.00 0.00 C ATOM 583 CG2 ILE A 38 -18.843 -10.290 -4.039 1.00 0.00 C ATOM 584 CD1 ILE A 38 -17.517 -7.320 -4.610 1.00 0.00 C ATOM 0 H ILE A 38 -19.742 -8.221 -7.394 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.626 -10.817 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 38 -19.741 -8.591 -4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.823 -9.249 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.567 -8.325 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.547 -9.743 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.802 -10.778 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.089 -11.043 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.559 -6.846 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.325 -6.633 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.569 -7.572 -3.551 1.00 0.00 H new ATOM 596 N VAL A 39 -20.835 -12.007 -6.730 1.00 0.00 N ATOM 597 CA VAL A 39 -22.053 -12.789 -6.558 1.00 0.00 C ATOM 598 C VAL A 39 -21.735 -14.209 -6.105 1.00 0.00 C ATOM 599 O VAL A 39 -22.484 -14.809 -5.333 1.00 0.00 O ATOM 600 CB VAL A 39 -22.872 -12.848 -7.861 1.00 0.00 C ATOM 601 CG1 VAL A 39 -22.011 -13.352 -9.010 1.00 0.00 C ATOM 602 CG2 VAL A 39 -24.100 -13.727 -7.679 1.00 0.00 C ATOM 0 H VAL A 39 -20.101 -12.481 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 39 -22.643 -12.290 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 39 -23.208 -11.840 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -22.606 -13.387 -9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -21.166 -12.679 -9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -21.643 -14.352 -8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -24.667 -13.757 -8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -23.788 -14.737 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -24.726 -13.318 -6.886 1.00 0.00 H new ATOM 612 N LEU A 40 -20.619 -14.743 -6.590 1.00 0.00 N ATOM 613 CA LEU A 40 -20.200 -16.094 -6.235 1.00 0.00 C ATOM 614 C LEU A 40 -19.995 -16.223 -4.730 1.00 0.00 C ATOM 615 O LEU A 40 -19.494 -15.306 -4.081 1.00 0.00 O ATOM 616 CB LEU A 40 -18.909 -16.459 -6.970 1.00 0.00 C ATOM 617 CG LEU A 40 -18.966 -16.399 -8.497 1.00 0.00 C ATOM 618 CD1 LEU A 40 -17.576 -16.570 -9.090 1.00 0.00 C ATOM 619 CD2 LEU A 40 -19.913 -17.460 -9.038 1.00 0.00 C ATOM 0 H LEU A 40 -19.988 -14.261 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.989 -16.783 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.119 -15.790 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.620 -17.468 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.345 -15.420 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -17.636 -16.525 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.926 -15.773 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -17.168 -17.535 -8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -19.941 -17.402 -10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -19.564 -18.447 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -20.914 -17.292 -8.640 1.00 0.00 H new ATOM 631 N ASN A 41 -20.386 -17.369 -4.180 1.00 0.00 N ATOM 632 CA ASN A 41 -20.243 -17.619 -2.751 1.00 0.00 C ATOM 633 C ASN A 41 -21.284 -16.837 -1.955 1.00 0.00 C ATOM 634 O ASN A 41 -20.984 -16.278 -0.901 1.00 0.00 O ATOM 635 CB ASN A 41 -18.837 -17.239 -2.283 1.00 0.00 C ATOM 636 CG ASN A 41 -17.762 -17.699 -3.249 1.00 0.00 C ATOM 637 OD1 ASN A 41 -17.926 -18.701 -3.946 1.00 0.00 O ATOM 638 ND2 ASN A 41 -16.655 -16.968 -3.295 1.00 0.00 N ATOM 0 H ASN A 41 -20.804 -18.138 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 41 -20.401 -18.683 -2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -18.776 -16.157 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -18.652 -17.678 -1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -15.897 -17.229 -3.926 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.562 -16.145 -2.699 1.00 0.00 H new ATOM 645 N ASN A 42 -22.510 -16.802 -2.469 1.00 0.00 N ATOM 646 CA ASN A 42 -23.596 -16.088 -1.807 1.00 0.00 C ATOM 647 C ASN A 42 -23.211 -14.636 -1.543 1.00 0.00 C ATOM 648 O ASN A 42 -23.435 -14.110 -0.452 1.00 0.00 O ATOM 649 CB ASN A 42 -23.959 -16.778 -0.490 1.00 0.00 C ATOM 650 CG ASN A 42 -24.967 -17.895 -0.682 1.00 0.00 C ATOM 651 OD1 ASN A 42 -26.168 -17.703 -0.489 1.00 0.00 O ATOM 652 ND2 ASN A 42 -24.482 -19.071 -1.063 1.00 0.00 N ATOM 0 H ASN A 42 -22.776 -17.259 -3.341 1.00 0.00 H new ATOM 0 HA ASN A 42 -24.462 -16.101 -2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -23.055 -17.182 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -24.365 -16.041 0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -25.112 -19.860 -1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -23.479 -19.185 -1.211 1.00 0.00 H new ATOM 659 N LYS A 43 -22.632 -13.991 -2.550 1.00 0.00 N ATOM 660 CA LYS A 43 -22.217 -12.598 -2.430 1.00 0.00 C ATOM 661 C LYS A 43 -21.483 -12.361 -1.114 1.00 0.00 C ATOM 662 O LYS A 43 -21.728 -11.370 -0.425 1.00 0.00 O ATOM 663 CB LYS A 43 -23.433 -11.673 -2.522 1.00 0.00 C ATOM 664 CG LYS A 43 -24.053 -11.620 -3.908 1.00 0.00 C ATOM 665 CD LYS A 43 -25.498 -11.153 -3.854 1.00 0.00 C ATOM 666 CE LYS A 43 -26.455 -12.321 -3.676 1.00 0.00 C ATOM 667 NZ LYS A 43 -26.670 -12.647 -2.238 1.00 0.00 N ATOM 0 H LYS A 43 -22.439 -14.411 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.536 -12.375 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.187 -12.005 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.137 -10.666 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -23.475 -10.946 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -24.006 -12.607 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -25.624 -10.450 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.743 -10.617 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.411 -12.081 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -26.060 -13.196 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.598 -13.102 -2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -25.924 -13.294 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.639 -11.773 -1.675 1.00 0.00 H new ATOM 681 N PHE A 44 -20.581 -13.274 -0.772 1.00 0.00 N ATOM 682 CA PHE A 44 -19.811 -13.164 0.462 1.00 0.00 C ATOM 683 C PHE A 44 -18.420 -12.600 0.185 1.00 0.00 C ATOM 684 O PHE A 44 -17.567 -13.276 -0.387 1.00 0.00 O ATOM 685 CB PHE A 44 -19.694 -14.531 1.139 1.00 0.00 C ATOM 686 CG PHE A 44 -18.588 -14.604 2.153 1.00 0.00 C ATOM 687 CD1 PHE A 44 -18.505 -13.674 3.176 1.00 0.00 C ATOM 688 CD2 PHE A 44 -17.631 -15.604 2.082 1.00 0.00 C ATOM 689 CE1 PHE A 44 -17.489 -13.739 4.111 1.00 0.00 C ATOM 690 CE2 PHE A 44 -16.613 -15.675 3.014 1.00 0.00 C ATOM 691 CZ PHE A 44 -16.541 -14.740 4.028 1.00 0.00 C ATOM 0 H PHE A 44 -20.365 -14.099 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.336 -12.480 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -20.640 -14.768 1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.528 -15.292 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -19.243 -12.888 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.681 -16.336 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -17.437 -13.009 4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.875 -16.461 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 44 -15.744 -14.792 4.755 1.00 0.00 H new ATOM 701 N GLY A 45 -18.201 -11.354 0.596 1.00 0.00 N ATOM 702 CA GLY A 45 -16.913 -10.719 0.384 1.00 0.00 C ATOM 703 C GLY A 45 -16.438 -9.952 1.602 1.00 0.00 C ATOM 704 O GLY A 45 -16.348 -10.506 2.698 1.00 0.00 O ATOM 0 H GLY A 45 -18.892 -10.774 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.175 -11.478 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.982 -10.040 -0.466 1.00 0.00 H new ATOM 708 N LEU A 46 -16.130 -8.674 1.410 1.00 0.00 N ATOM 709 CA LEU A 46 -15.659 -7.828 2.502 1.00 0.00 C ATOM 710 C LEU A 46 -16.054 -6.373 2.273 1.00 0.00 C ATOM 711 O LEU A 46 -15.746 -5.792 1.232 1.00 0.00 O ATOM 712 CB LEU A 46 -14.140 -7.941 2.641 1.00 0.00 C ATOM 713 CG LEU A 46 -13.607 -9.294 3.112 1.00 0.00 C ATOM 714 CD1 LEU A 46 -12.116 -9.407 2.834 1.00 0.00 C ATOM 715 CD2 LEU A 46 -13.892 -9.493 4.594 1.00 0.00 C ATOM 0 H LEU A 46 -16.198 -8.201 0.509 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.129 -8.171 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.689 -7.712 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.802 -7.177 3.340 1.00 0.00 H new ATOM 0 HG LEU A 46 -14.120 -10.078 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.755 -10.377 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.937 -9.310 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.586 -8.615 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.506 -10.461 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.407 -8.703 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.968 -9.458 4.766 1.00 0.00 H new ATOM 727 N ARG A 47 -16.736 -5.789 3.253 1.00 0.00 N ATOM 728 CA ARG A 47 -17.172 -4.401 3.159 1.00 0.00 C ATOM 729 C ARG A 47 -16.449 -3.534 4.186 1.00 0.00 C ATOM 730 O ARG A 47 -16.427 -3.849 5.376 1.00 0.00 O ATOM 731 CB ARG A 47 -18.684 -4.304 3.368 1.00 0.00 C ATOM 732 CG ARG A 47 -19.246 -2.914 3.121 1.00 0.00 C ATOM 733 CD ARG A 47 -20.766 -2.916 3.132 1.00 0.00 C ATOM 734 NE ARG A 47 -21.322 -1.875 2.272 1.00 0.00 N ATOM 735 CZ ARG A 47 -22.544 -1.924 1.755 1.00 0.00 C ATOM 736 NH1 ARG A 47 -23.334 -2.958 2.009 1.00 0.00 N ATOM 737 NH2 ARG A 47 -22.979 -0.937 0.981 1.00 0.00 N ATOM 0 H ARG A 47 -16.999 -6.256 4.121 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.926 -4.035 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.180 -5.011 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.921 -4.606 4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.877 -2.230 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.889 -2.542 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -21.129 -3.890 2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.121 -2.771 4.152 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.740 -1.066 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -23.004 -3.719 2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.272 -2.993 1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.374 -0.140 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.918 -0.976 0.584 1.00 0.00 H new ATOM 751 N CYS A 48 -15.859 -2.440 3.717 1.00 0.00 N ATOM 752 CA CYS A 48 -15.134 -1.526 4.592 1.00 0.00 C ATOM 753 C CYS A 48 -16.092 -0.799 5.532 1.00 0.00 C ATOM 754 O CYS A 48 -17.311 -0.922 5.411 1.00 0.00 O ATOM 755 CB CYS A 48 -14.346 -0.510 3.764 1.00 0.00 C ATOM 756 SG CYS A 48 -12.867 0.145 4.601 1.00 0.00 S ATOM 0 H CYS A 48 -15.869 -2.164 2.735 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.438 -2.113 5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.043 -0.978 2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.003 0.321 3.507 1.00 0.00 H new ATOM 761 N LYS A 49 -15.531 -0.042 6.469 1.00 0.00 N ATOM 762 CA LYS A 49 -16.333 0.707 7.429 1.00 0.00 C ATOM 763 C LYS A 49 -16.358 2.191 7.078 1.00 0.00 C ATOM 764 O LYS A 49 -17.380 2.858 7.232 1.00 0.00 O ATOM 765 CB LYS A 49 -15.781 0.516 8.844 1.00 0.00 C ATOM 766 CG LYS A 49 -16.426 -0.633 9.598 1.00 0.00 C ATOM 767 CD LYS A 49 -15.747 -1.956 9.287 1.00 0.00 C ATOM 768 CE LYS A 49 -14.495 -2.151 10.128 1.00 0.00 C ATOM 769 NZ LYS A 49 -14.822 -2.445 11.550 1.00 0.00 N ATOM 0 H LYS A 49 -14.524 0.069 6.584 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.353 0.325 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.706 0.343 8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.926 1.437 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.375 -0.440 10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.482 -0.694 9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.442 -2.775 9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.486 -1.992 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.904 -2.968 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.879 -1.253 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.978 -2.818 12.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.132 -1.572 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.584 -3.151 11.592 1.00 0.00 H new ATOM 783 N ASN A 50 -15.226 2.701 6.603 1.00 0.00 N ATOM 784 CA ASN A 50 -15.118 4.106 6.228 1.00 0.00 C ATOM 785 C ASN A 50 -15.601 4.327 4.798 1.00 0.00 C ATOM 786 O ASN A 50 -16.602 5.005 4.566 1.00 0.00 O ATOM 787 CB ASN A 50 -13.672 4.585 6.370 1.00 0.00 C ATOM 788 CG ASN A 50 -12.997 4.026 7.608 1.00 0.00 C ATOM 789 OD1 ASN A 50 -12.415 2.840 7.480 1.00 0.00 O flip ATOM 790 ND2 ASN A 50 -12.999 4.655 8.666 1.00 0.00 N flip ATOM 0 H ASN A 50 -14.371 2.162 6.469 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.752 4.684 6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.106 4.290 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.655 5.674 6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.459 5.564 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.540 4.267 9.491 1.00 0.00 H new ATOM 797 N CYS A 51 -14.883 3.748 3.841 1.00 0.00 N ATOM 798 CA CYS A 51 -15.236 3.879 2.433 1.00 0.00 C ATOM 799 C CYS A 51 -16.322 2.879 2.049 1.00 0.00 C ATOM 800 O CYS A 51 -16.932 2.984 0.985 1.00 0.00 O ATOM 801 CB CYS A 51 -14.002 3.671 1.554 1.00 0.00 C ATOM 802 SG CYS A 51 -13.337 1.975 1.596 1.00 0.00 S ATOM 0 H CYS A 51 -14.052 3.183 4.016 1.00 0.00 H new ATOM 0 HA CYS A 51 -15.621 4.886 2.274 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.255 3.925 0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.222 4.364 1.871 1.00 0.00 H new ATOM 807 N LYS A 52 -16.559 1.907 2.924 1.00 0.00 N ATOM 808 CA LYS A 52 -17.572 0.887 2.679 1.00 0.00 C ATOM 809 C LYS A 52 -17.476 0.356 1.252 1.00 0.00 C ATOM 810 O LYS A 52 -18.455 0.372 0.505 1.00 0.00 O ATOM 811 CB LYS A 52 -18.970 1.457 2.929 1.00 0.00 C ATOM 812 CG LYS A 52 -19.084 2.241 4.225 1.00 0.00 C ATOM 813 CD LYS A 52 -19.464 1.341 5.390 1.00 0.00 C ATOM 814 CE LYS A 52 -20.973 1.267 5.568 1.00 0.00 C ATOM 815 NZ LYS A 52 -21.350 0.518 6.799 1.00 0.00 N ATOM 0 H LYS A 52 -16.063 1.804 3.809 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.394 0.061 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.243 2.106 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -19.690 0.638 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.135 2.733 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.831 3.026 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -19.067 0.340 5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.007 1.716 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.383 2.276 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.418 0.784 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -22.386 0.490 6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.981 -0.453 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.947 0.993 7.632 1.00 0.00 H new ATOM 829 N THR A 53 -16.291 -0.116 0.880 1.00 0.00 N ATOM 830 CA THR A 53 -16.067 -0.653 -0.457 1.00 0.00 C ATOM 831 C THR A 53 -16.227 -2.168 -0.475 1.00 0.00 C ATOM 832 O THR A 53 -16.012 -2.836 0.535 1.00 0.00 O ATOM 833 CB THR A 53 -14.665 -0.289 -0.981 1.00 0.00 C ATOM 834 OG1 THR A 53 -14.588 -0.541 -2.388 1.00 0.00 O ATOM 835 CG2 THR A 53 -13.593 -1.089 -0.258 1.00 0.00 C ATOM 0 H THR A 53 -15.471 -0.138 1.486 1.00 0.00 H new ATOM 0 HA THR A 53 -16.817 -0.204 -1.108 1.00 0.00 H new ATOM 0 HB THR A 53 -14.494 0.771 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.999 -1.307 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.612 -0.815 -0.645 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.636 -0.873 0.809 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.762 -2.154 -0.420 1.00 0.00 H new ATOM 843 N ASN A 54 -16.603 -2.706 -1.631 1.00 0.00 N ATOM 844 CA ASN A 54 -16.791 -4.144 -1.780 1.00 0.00 C ATOM 845 C ASN A 54 -15.556 -4.793 -2.398 1.00 0.00 C ATOM 846 O ASN A 54 -15.028 -4.314 -3.402 1.00 0.00 O ATOM 847 CB ASN A 54 -18.019 -4.432 -2.646 1.00 0.00 C ATOM 848 CG ASN A 54 -19.310 -4.387 -1.851 1.00 0.00 C ATOM 849 OD1 ASN A 54 -20.039 -5.376 -1.774 1.00 0.00 O ATOM 850 ND2 ASN A 54 -19.599 -3.235 -1.257 1.00 0.00 N ATOM 0 H ASN A 54 -16.783 -2.167 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.946 -4.569 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -18.068 -3.704 -3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.913 -5.414 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.455 -3.144 -0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.965 -2.441 -1.348 1.00 0.00 H new ATOM 857 N ILE A 55 -15.102 -5.885 -1.792 1.00 0.00 N ATOM 858 CA ILE A 55 -13.931 -6.600 -2.284 1.00 0.00 C ATOM 859 C ILE A 55 -13.954 -8.060 -1.845 1.00 0.00 C ATOM 860 O ILE A 55 -14.376 -8.379 -0.733 1.00 0.00 O ATOM 861 CB ILE A 55 -12.626 -5.948 -1.791 1.00 0.00 C ATOM 862 CG1 ILE A 55 -12.536 -6.025 -0.266 1.00 0.00 C ATOM 863 CG2 ILE A 55 -12.546 -4.502 -2.259 1.00 0.00 C ATOM 864 CD1 ILE A 55 -11.159 -5.706 0.275 1.00 0.00 C ATOM 0 H ILE A 55 -15.527 -6.294 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.964 -6.550 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.783 -6.494 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.257 -5.333 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.821 -7.026 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.618 -4.055 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.569 -4.470 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.394 -3.944 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.169 -5.780 1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.436 -6.414 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.879 -4.694 -0.017 1.00 0.00 H new ATOM 876 N HIS A 56 -13.497 -8.944 -2.726 1.00 0.00 N ATOM 877 CA HIS A 56 -13.462 -10.372 -2.428 1.00 0.00 C ATOM 878 C HIS A 56 -12.485 -10.667 -1.295 1.00 0.00 C ATOM 879 O HIS A 56 -11.655 -9.829 -0.945 1.00 0.00 O ATOM 880 CB HIS A 56 -13.070 -11.165 -3.675 1.00 0.00 C ATOM 881 CG HIS A 56 -14.170 -11.275 -4.686 1.00 0.00 C ATOM 882 ND1 HIS A 56 -14.069 -10.773 -5.966 1.00 0.00 N ATOM 883 CD2 HIS A 56 -15.399 -11.834 -4.599 1.00 0.00 C ATOM 884 CE1 HIS A 56 -15.189 -11.018 -6.623 1.00 0.00 C ATOM 885 NE2 HIS A 56 -16.012 -11.661 -5.815 1.00 0.00 N ATOM 0 H HIS A 56 -13.146 -8.697 -3.651 1.00 0.00 H new ATOM 0 HA HIS A 56 -14.460 -10.677 -2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.206 -10.690 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.761 -12.167 -3.376 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -15.820 -12.325 -3.734 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.396 -10.740 -7.646 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.951 -11.978 -6.055 1.00 0.00 H new ATOM 893 N GLU A 57 -12.590 -11.864 -0.726 1.00 0.00 N ATOM 894 CA GLU A 57 -11.715 -12.268 0.369 1.00 0.00 C ATOM 895 C GLU A 57 -10.251 -12.216 -0.057 1.00 0.00 C ATOM 896 O GLU A 57 -9.348 -12.248 0.780 1.00 0.00 O ATOM 897 CB GLU A 57 -12.071 -13.680 0.841 1.00 0.00 C ATOM 898 CG GLU A 57 -11.599 -13.986 2.252 1.00 0.00 C ATOM 899 CD GLU A 57 -10.164 -14.475 2.294 1.00 0.00 C ATOM 900 OE1 GLU A 57 -9.745 -15.166 1.342 1.00 0.00 O ATOM 901 OE2 GLU A 57 -9.459 -14.166 3.278 1.00 0.00 O ATOM 0 H GLU A 57 -13.271 -12.570 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.860 -11.570 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.152 -13.809 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.633 -14.405 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.691 -13.089 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.249 -14.741 2.693 1.00 0.00 H new ATOM 908 N HIS A 58 -10.023 -12.136 -1.364 1.00 0.00 N ATOM 909 CA HIS A 58 -8.669 -12.080 -1.902 1.00 0.00 C ATOM 910 C HIS A 58 -8.340 -10.676 -2.399 1.00 0.00 C ATOM 911 O HIS A 58 -7.173 -10.285 -2.462 1.00 0.00 O ATOM 912 CB HIS A 58 -8.507 -13.088 -3.040 1.00 0.00 C ATOM 913 CG HIS A 58 -9.664 -13.106 -3.992 1.00 0.00 C ATOM 914 ND1 HIS A 58 -10.612 -14.107 -4.005 1.00 0.00 N ATOM 915 CD2 HIS A 58 -10.023 -12.238 -4.966 1.00 0.00 C ATOM 916 CE1 HIS A 58 -11.503 -13.855 -4.946 1.00 0.00 C ATOM 917 NE2 HIS A 58 -11.169 -12.726 -5.544 1.00 0.00 N ATOM 0 H HIS A 58 -10.759 -12.109 -2.070 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.975 -12.335 -1.101 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.596 -12.857 -3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.379 -14.084 -2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.505 -11.330 -5.238 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.359 -14.468 -5.186 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.679 -12.288 -6.311 1.00 0.00 H new ATOM 925 N CYS A 59 -9.374 -9.921 -2.752 1.00 0.00 N ATOM 926 CA CYS A 59 -9.196 -8.560 -3.246 1.00 0.00 C ATOM 927 C CYS A 59 -8.829 -7.613 -2.107 1.00 0.00 C ATOM 928 O CYS A 59 -8.716 -6.404 -2.306 1.00 0.00 O ATOM 929 CB CYS A 59 -10.472 -8.075 -3.936 1.00 0.00 C ATOM 930 SG CYS A 59 -10.821 -8.903 -5.521 1.00 0.00 S ATOM 0 H CYS A 59 -10.345 -10.228 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 59 -8.380 -8.565 -3.969 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.316 -8.229 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.393 -7.002 -4.109 1.00 0.00 H new ATOM 935 N GLN A 60 -8.645 -8.172 -0.915 1.00 0.00 N ATOM 936 CA GLN A 60 -8.291 -7.377 0.255 1.00 0.00 C ATOM 937 C GLN A 60 -6.778 -7.318 0.435 1.00 0.00 C ATOM 938 O GLN A 60 -6.244 -6.343 0.964 1.00 0.00 O ATOM 939 CB GLN A 60 -8.944 -7.959 1.509 1.00 0.00 C ATOM 940 CG GLN A 60 -8.081 -8.985 2.225 1.00 0.00 C ATOM 941 CD GLN A 60 -8.745 -9.542 3.468 1.00 0.00 C ATOM 942 OE1 GLN A 60 -8.857 -8.857 4.486 1.00 0.00 O ATOM 943 NE2 GLN A 60 -9.190 -10.791 3.393 1.00 0.00 N ATOM 0 H GLN A 60 -8.735 -9.172 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.659 -6.363 0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.175 -7.147 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.891 -8.422 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.854 -9.803 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.131 -8.526 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.076 -11.322 2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.646 -11.219 4.199 1.00 0.00 H new ATOM 952 N SER A 61 -6.093 -8.367 -0.007 1.00 0.00 N ATOM 953 CA SER A 61 -4.641 -8.437 0.110 1.00 0.00 C ATOM 954 C SER A 61 -3.982 -7.255 -0.595 1.00 0.00 C ATOM 955 O SER A 61 -2.937 -6.766 -0.166 1.00 0.00 O ATOM 956 CB SER A 61 -4.123 -9.750 -0.479 1.00 0.00 C ATOM 957 OG SER A 61 -2.866 -10.098 0.076 1.00 0.00 O ATOM 0 H SER A 61 -6.520 -9.181 -0.450 1.00 0.00 H new ATOM 0 HA SER A 61 -4.384 -8.396 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.842 -10.547 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.033 -9.656 -1.561 1.00 0.00 H new ATOM 0 HG SER A 61 -2.558 -10.942 -0.316 1.00 0.00 H new ATOM 963 N TYR A 62 -4.601 -6.802 -1.680 1.00 0.00 N ATOM 964 CA TYR A 62 -4.074 -5.680 -2.447 1.00 0.00 C ATOM 965 C TYR A 62 -4.334 -4.359 -1.729 1.00 0.00 C ATOM 966 O TYR A 62 -3.458 -3.497 -1.653 1.00 0.00 O ATOM 967 CB TYR A 62 -4.704 -5.647 -3.841 1.00 0.00 C ATOM 968 CG TYR A 62 -4.825 -7.011 -4.483 1.00 0.00 C ATOM 969 CD1 TYR A 62 -3.700 -7.690 -4.935 1.00 0.00 C ATOM 970 CD2 TYR A 62 -6.064 -7.621 -4.636 1.00 0.00 C ATOM 971 CE1 TYR A 62 -3.806 -8.936 -5.522 1.00 0.00 C ATOM 972 CE2 TYR A 62 -6.179 -8.868 -5.221 1.00 0.00 C ATOM 973 CZ TYR A 62 -5.047 -9.521 -5.663 1.00 0.00 C ATOM 974 OH TYR A 62 -5.157 -10.762 -6.246 1.00 0.00 O ATOM 0 H TYR A 62 -5.468 -7.195 -2.048 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.997 -5.814 -2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.695 -5.198 -3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.106 -5.003 -4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.726 -7.236 -4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.952 -7.112 -4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.921 -9.450 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.150 -9.329 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.099 -11.031 -6.268 1.00 0.00 H new ATOM 984 N VAL A 63 -5.545 -4.208 -1.202 1.00 0.00 N ATOM 985 CA VAL A 63 -5.922 -2.994 -0.488 1.00 0.00 C ATOM 986 C VAL A 63 -5.400 -3.014 0.944 1.00 0.00 C ATOM 987 O VAL A 63 -5.436 -2.002 1.642 1.00 0.00 O ATOM 988 CB VAL A 63 -7.451 -2.809 -0.462 1.00 0.00 C ATOM 989 CG1 VAL A 63 -8.044 -3.069 -1.839 1.00 0.00 C ATOM 990 CG2 VAL A 63 -8.080 -3.722 0.579 1.00 0.00 C ATOM 0 H VAL A 63 -6.282 -4.911 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.471 -2.159 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.670 -1.777 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.125 -2.934 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.616 -2.370 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.817 -4.090 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.160 -3.578 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.853 -4.760 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.678 -3.483 1.563 1.00 0.00 H new ATOM 1000 N GLU A 64 -4.913 -4.174 1.374 1.00 0.00 N ATOM 1001 CA GLU A 64 -4.383 -4.326 2.724 1.00 0.00 C ATOM 1002 C GLU A 64 -3.364 -3.234 3.034 1.00 0.00 C ATOM 1003 O GLU A 64 -3.326 -2.703 4.144 1.00 0.00 O ATOM 1004 CB GLU A 64 -3.738 -5.703 2.891 1.00 0.00 C ATOM 1005 CG GLU A 64 -4.678 -6.751 3.462 1.00 0.00 C ATOM 1006 CD GLU A 64 -3.955 -7.791 4.297 1.00 0.00 C ATOM 1007 OE1 GLU A 64 -2.921 -7.448 4.907 1.00 0.00 O ATOM 1008 OE2 GLU A 64 -4.425 -8.947 4.339 1.00 0.00 O ATOM 0 H GLU A 64 -4.875 -5.021 0.808 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.213 -4.235 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.373 -6.044 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.870 -5.611 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.434 -6.260 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.202 -7.247 2.645 1.00 0.00 H new ATOM 1015 N MET A 65 -2.539 -2.904 2.046 1.00 0.00 N ATOM 1016 CA MET A 65 -1.520 -1.875 2.213 1.00 0.00 C ATOM 1017 C MET A 65 -1.897 -0.607 1.452 1.00 0.00 C ATOM 1018 O MET A 65 -1.028 0.133 0.993 1.00 0.00 O ATOM 1019 CB MET A 65 -0.162 -2.388 1.729 1.00 0.00 C ATOM 1020 CG MET A 65 0.493 -3.370 2.687 1.00 0.00 C ATOM 1021 SD MET A 65 1.366 -2.548 4.034 1.00 0.00 S ATOM 1022 CE MET A 65 2.654 -1.692 3.131 1.00 0.00 C ATOM 0 H MET A 65 -2.556 -3.334 1.121 1.00 0.00 H new ATOM 0 HA MET A 65 -1.453 -1.635 3.274 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.289 -2.869 0.759 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.505 -1.539 1.579 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.269 -4.030 3.102 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.193 -3.998 2.135 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.620 -1.899 3.591 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.664 -2.036 2.097 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.463 -0.619 3.154 1.00 0.00 H new ATOM 1032 N GLN A 66 -3.198 -0.365 1.324 1.00 0.00 N ATOM 1033 CA GLN A 66 -3.688 0.813 0.618 1.00 0.00 C ATOM 1034 C GLN A 66 -4.398 1.765 1.576 1.00 0.00 C ATOM 1035 O GLN A 66 -5.121 1.333 2.474 1.00 0.00 O ATOM 1036 CB GLN A 66 -4.639 0.400 -0.507 1.00 0.00 C ATOM 1037 CG GLN A 66 -4.782 1.449 -1.598 1.00 0.00 C ATOM 1038 CD GLN A 66 -5.874 1.111 -2.593 1.00 0.00 C ATOM 1039 OE1 GLN A 66 -7.027 1.509 -2.425 1.00 0.00 O ATOM 1040 NE2 GLN A 66 -5.517 0.372 -3.637 1.00 0.00 N ATOM 0 H GLN A 66 -3.930 -0.968 1.699 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.831 1.331 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.281 -0.528 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.621 0.192 -0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.998 2.415 -1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.834 1.550 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.550 0.064 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.210 0.113 -4.339 1.00 0.00 H new ATOM 1049 N ARG A 67 -4.187 3.062 1.378 1.00 0.00 N ATOM 1050 CA ARG A 67 -4.805 4.075 2.225 1.00 0.00 C ATOM 1051 C ARG A 67 -6.317 4.103 2.022 1.00 0.00 C ATOM 1052 O ARG A 67 -6.807 3.962 0.901 1.00 0.00 O ATOM 1053 CB ARG A 67 -4.213 5.453 1.923 1.00 0.00 C ATOM 1054 CG ARG A 67 -4.354 5.871 0.469 1.00 0.00 C ATOM 1055 CD ARG A 67 -4.203 7.376 0.305 1.00 0.00 C ATOM 1056 NE ARG A 67 -2.849 7.826 0.615 1.00 0.00 N ATOM 1057 CZ ARG A 67 -1.808 7.632 -0.186 1.00 0.00 C ATOM 1058 NH1 ARG A 67 -1.965 6.998 -1.340 1.00 0.00 N ATOM 1059 NH2 ARG A 67 -0.606 8.072 0.166 1.00 0.00 N ATOM 0 H ARG A 67 -3.593 3.436 0.638 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.600 3.819 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.701 6.195 2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.156 5.452 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.601 5.361 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.328 5.559 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.453 7.656 -0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.913 7.885 0.957 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.694 8.317 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.887 6.658 -1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.164 6.850 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.481 8.560 1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.193 7.922 -0.451 1.00 0.00 H new ATOM 1073 N CYS A 68 -7.052 4.287 3.114 1.00 0.00 N ATOM 1074 CA CYS A 68 -8.508 4.333 3.058 1.00 0.00 C ATOM 1075 C CYS A 68 -9.006 5.775 3.047 1.00 0.00 C ATOM 1076 O CYS A 68 -9.169 6.395 4.099 1.00 0.00 O ATOM 1077 CB CYS A 68 -9.110 3.583 4.248 1.00 0.00 C ATOM 1078 SG CYS A 68 -10.931 3.589 4.287 1.00 0.00 S ATOM 0 H CYS A 68 -6.662 4.407 4.049 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.826 3.850 2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.761 2.551 4.227 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.736 4.027 5.170 1.00 0.00 H new ATOM 1083 N SER A 69 -9.248 6.303 1.852 1.00 0.00 N ATOM 1084 CA SER A 69 -9.724 7.674 1.703 1.00 0.00 C ATOM 1085 C SER A 69 -11.236 7.747 1.896 1.00 0.00 C ATOM 1086 O SER A 69 -11.949 8.332 1.081 1.00 0.00 O ATOM 1087 CB SER A 69 -9.347 8.221 0.325 1.00 0.00 C ATOM 1088 OG SER A 69 -9.804 7.364 -0.707 1.00 0.00 O ATOM 0 H SER A 69 -9.122 5.802 0.972 1.00 0.00 H new ATOM 0 HA SER A 69 -9.247 8.284 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.777 9.214 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.265 8.331 0.258 1.00 0.00 H new ATOM 0 HG SER A 69 -9.552 7.737 -1.578 1.00 0.00 H new ATOM 1094 N GLY A 70 -11.718 7.148 2.980 1.00 0.00 N ATOM 1095 CA GLY A 70 -13.142 7.156 3.261 1.00 0.00 C ATOM 1096 C GLY A 70 -13.611 8.476 3.840 1.00 0.00 C ATOM 1097 O GLY A 70 -12.842 9.220 4.448 1.00 0.00 O ATOM 0 H GLY A 70 -11.148 6.657 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.692 6.950 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.376 6.353 3.960 1.00 0.00 H new ATOM 1101 N PRO A 71 -14.903 8.784 3.650 1.00 0.00 N ATOM 1102 CA PRO A 71 -15.502 10.025 4.149 1.00 0.00 C ATOM 1103 C PRO A 71 -15.621 10.041 5.669 1.00 0.00 C ATOM 1104 O PRO A 71 -16.340 10.863 6.237 1.00 0.00 O ATOM 1105 CB PRO A 71 -16.891 10.032 3.505 1.00 0.00 C ATOM 1106 CG PRO A 71 -17.195 8.597 3.245 1.00 0.00 C ATOM 1107 CD PRO A 71 -15.877 7.944 2.934 1.00 0.00 C ATOM 0 HA PRO A 71 -14.897 10.897 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.632 10.480 4.167 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.896 10.611 2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.665 8.134 4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -17.890 8.490 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.849 6.911 3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.681 7.926 1.862 1.00 0.00 H new ATOM 1115 N SER A 72 -14.909 9.128 6.323 1.00 0.00 N ATOM 1116 CA SER A 72 -14.937 9.036 7.778 1.00 0.00 C ATOM 1117 C SER A 72 -15.206 10.401 8.404 1.00 0.00 C ATOM 1118 O SER A 72 -14.377 11.307 8.324 1.00 0.00 O ATOM 1119 CB SER A 72 -13.613 8.475 8.300 1.00 0.00 C ATOM 1120 OG SER A 72 -12.595 9.460 8.273 1.00 0.00 O ATOM 0 H SER A 72 -14.306 8.442 5.868 1.00 0.00 H new ATOM 0 HA SER A 72 -15.746 8.361 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.745 8.112 9.319 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.312 7.620 7.694 1.00 0.00 H new ATOM 0 HG SER A 72 -12.956 10.294 7.906 1.00 0.00 H new ATOM 1126 N SER A 73 -16.372 10.539 9.028 1.00 0.00 N ATOM 1127 CA SER A 73 -16.753 11.795 9.665 1.00 0.00 C ATOM 1128 C SER A 73 -16.244 11.851 11.103 1.00 0.00 C ATOM 1129 O SER A 73 -16.033 10.820 11.739 1.00 0.00 O ATOM 1130 CB SER A 73 -18.274 11.960 9.644 1.00 0.00 C ATOM 1131 OG SER A 73 -18.682 13.033 10.475 1.00 0.00 O ATOM 0 H SER A 73 -17.068 9.798 9.106 1.00 0.00 H new ATOM 0 HA SER A 73 -16.298 12.612 9.105 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.609 12.139 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.748 11.037 9.978 1.00 0.00 H new ATOM 0 HG SER A 73 -19.658 13.119 10.443 1.00 0.00 H new ATOM 1137 N GLY A 74 -16.049 13.065 11.608 1.00 0.00 N ATOM 1138 CA GLY A 74 -15.567 13.235 12.966 1.00 0.00 C ATOM 1139 C GLY A 74 -16.695 13.330 13.974 1.00 0.00 C ATOM 1140 O GLY A 74 -17.849 13.458 13.571 1.00 0.00 O ATOM 0 H GLY A 74 -16.216 13.934 11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.921 12.397 13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.957 14.137 13.022 1.00 0.00 H new TER 1144 GLY A 74 HETATM 1145 ZN ZN A 201 -11.773 1.663 3.284 1.00 0.00 ZN HETATM 1146 ZN ZN A 401 -12.905 -8.996 -6.290 1.00 0.00 ZN